Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate
TL;DR: Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate (CAS 58114-34-4) is a chemical compound with molecular formula C23H39NO3 and molecular weight 377.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl N-(3,5-ditert-butyl-4-hydroxyphenyl)carbamate
Also Known As: Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate, octyl[3,5-bis -4-hydroxyphenyl]carbamate, octyl(3,5-di-tert-butyl-4-hydroxyphenyl)carbamate, octyl N-(3,5-ditert-butyl-4-hydroxyphenyl)carbamate, octyl n-(3,5-di-tert-butyl-4-hydroxyphenyl)carbamate
| Molecular Formula | C23H39NO3 |
|---|---|
| Molecular Weight | 377.29 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 377.293 |
| Heavy Atoms | 27 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 58114-34-4 |
|---|---|
| SMILES | CCCCCCCCOC(=O)NC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| InChIKey | NTTIENRNNNJCHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate (CAS 58114-34-4), with molecular formula C23H39NO3 and molecular weight 377.29 g/mol. IUPAC: octyl N-(3,5-ditert-butyl-4-hydroxyphenyl)carbamate.
Chemical Property Profile of Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate
Property Insights of Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate
The XLogP value of 7.9 indicates that Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate?
The CAS number of Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate is 58114-34-4.
What is the molecular formula of Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate?
The molecular formula of Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate is C23H39NO3.
What is the molecular weight of Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate?
The molecular weight of Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate is 377.29 g/mol.
Where can I buy Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate?
You can request a quote for Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.